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DOE OSTI2019

Extreme background rejection techniques for the ELROI satellite license plate

The extremely low-resource optical identifier (ELROI) is a concept for an autonomous, low-power optical “license plate” that can be attached to anything that goes into space. ELROI uses short, omnidirectional flashes of laser light to encode a unique ID number that can be read by a small ground telescope using a photon-counting sensor and innovative extreme background-rejection techniques. ELROI is smaller and lighter than a typical radio beacon, low-power enough to run on its own small solar cell, and can safely operate for the entire orbital lifetime of a satellite or debris object. The concept has been validated in ground tests, and orbital prototypes are scheduled for launch in 2018 and beyond. In this paper, we focus on the details of the encoding scheme and data analysis that allow a milliwatt optical signal to be read from orbit. We describe the techniques of extreme background-rejection needed to achieve this, including spectral filtering and temporal filtering using a period- and phase-recovery algorithm, and discuss the requirements for an error-correcting code to encode the ID number. Worked examples with both simulated and experimental (long-range ground test) data illustrate the methods used. Finally, we present these techniques to describe a new optical communication concept, and to encourage others to consider observing and analyzing our upcoming test flights.

42 ENGINEERING↗

DOE OSTI2016

Practical Multiplexing For Third Generation Quantum Repeaters

We restrict quantum error correcting code sizes in third-generation quantum repeaters to explore qubit channel multiplexing. We find that the single link optimization is not necessarily the optimal configuration for improving the practical encoded-qubit throughput.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Beyond 100 Gb/s: Capacity, Flexibility, and Network Optimization

Here, we discuss building blocks that enable the exploitation of optical capacities beyond 100 Gb/s. Optical networks will benefit from more flexibility and agility in their network elements, especially from coherent transceivers. To achieve capacities of 400 Gb/s and more, coherent transceivers will operate at higher symbol rates. This will be made possible with higher bandwidth components using new electro-optic technologies implemented with indium phosphide and silicon photonics. Digital signal processing will benefit from new algorithms. Multi-dimensional modulation, of which some formats are already in existence in current flexible coherent transceivers, will provide improved tolerance to noise and fiber nonlinearities. Constellation shaping will further improve these tolerances while allowing a finer granularity in the selection of capacity. Frequency-division multiplexing will also provide improved tolerance to the nonlinear characteristics of fibers. Algorithms with reduced computation complexity will allow the implementation, at speeds, of direct pre-compensation of nonlinear propagation effects. Advancement in forward error correction will shrink the performance gap with Shannon's limit. At the network control and management level, new tools are being developed to achieve a more efficient utilization of networks. This will also allow for network virtualization, orchestration, and management. Lastly, FlexEthernet and FlexOTN will be put in place to allow network operators to optimize capacity in their optical transport networks without manual changes to the client hardware.

47 OTHER INSTRUMENTATION↗

DOE OSTI2021

Multifidelity computing for coupling full and reduced order models

Hybrid physics-machine learning models are increasingly being used in simulations of transport processes. Many complex multiphysics systems relevant to scientific and engineering applications include multiple spatiotemporal scales and comprise a multifidelity problem sharing an interface between various formulations or heterogeneous computational entities. To this end, we present a robust hybrid analysis and modeling approach combining a physics-based full order model (FOM) and a data-driven reduced order model (ROM) to form the building blocks of an integrated approach among mixed fidelity descriptions toward predictive digital twin technologies. At the interface, we introduce a long short-term memory network to bridge these high and low-fidelity models in various forms of interfacial error correction or prolongation. The proposed interface learning approaches are tested as a new way to address ROM-FOM coupling problems solving nonlinear advection-diffusion flow situations with a bifidelity setup that captures the essence of a broad class of transport processes.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Atomic-precision advanced manufacturing for Si quantum computing

Abstract A materials synthesis method that we call atomic-precision advanced manufacturing (APAM), which is the only known route to tailor silicon nanoelectronics with full 3D atomic precision, is making an impact as a powerful prototyping tool for quantum computing. Quantum computing schemes using atomic ( 31 P) spin qubits are compelling for future scale-up owing to long dephasing times, one- and two-qubit gates nearing high-fidelity thresholds for fault-tolerant quantum error correction, and emerging routes to manufacturing via proven Si foundry techniques. Multiqubit devices are challenging to fabricate by conventional means owing to tight interqubit pitches forced by short-range spin interactions, and APAM offers the required (Å-scale) precision to systematically investigate solutions. However, applying APAM to fabricate circuitry with increasing numbers of qubits will require significant technique development. Here, we provide a tutorial on APAM techniques and materials and highlight its impacts in quantum computing research. Finally, we describe challenges on the path to multiqubit architectures and opportunities for APAM technique development. Graphic Abstract

36 MATERIALS SCIENCE↗

DOE OSTI2022

PARETO 0.3.0 Release

PARETO 0.3.0 Release. Highlights: - Fixing Warning in get_data - Clean up of old main function which has been replaced by the run files - Adding plot_scatter() function - Support node capacity - Add Gurobi troubleshooting files to gitignore by @melody-shellman - Set slacks to zero - Water treatment case study - Fix defaultvalue treatement - Fix bug for incorrect number of input arguments in water quality - Pipeline configs documentation - Enable rendering Unicode characters in ReadTheDocs PDF builds - Adding support for units - Add discrete water quality to the model - Updating documentation for strategic model, and corresponding fixes to strategic model - Rework getting started docs build section and more - Enable Codecov reports in CI builds - Correct error in CompletionsPadSupplyBalanceRule

PARETO,PSE,Process Systems Engineering,Produced wa↗

DOE OSTI2023

Codimension-2 defects and higher symmetries in (3+1)D topological phases

(3+1)D topological phases of matter can host a broad class of non-trivial topological defects of codimension-1, 2, and 3, of which the well-known point charges and flux loops are special cases. The complete algebraic structure of these defects defines a higher category, and can be viewed as an emergent higher symmetry. This plays a crucial role both in the classification of phases of matter and the possible fault-tolerant logical operations in topological quantum error-correcting codes. In this paper, we study several examples of such higher codimension defects from distinct perspectives. We mainly study a class of invertible codimension-2 topological defects, which we refer to as twist strings. We provide a number of general constructions for twist strings, in terms of gauging lower dimensional invertible phases, layer constructions, and condensation defects. We study some special examples in the context of \mathbb{Z}_2 ℤ 2 gauge theory with fermionic charges, in \mathbb{Z}_2 \times \mathbb{Z}_2 ℤ 2 × ℤ 2 gauge theory with bosonic charges, and also in non-Abelian discrete gauge theories based on dihedral ( D_n D n ) and alternating ( A_6 A 6 ) groups. The intersection between twist strings and Abelian flux loops sources Abelian point charges, which defines an H^4 H 4 cohomology class that characterizes part of an underlying 3-group symmetry of the topological order. The equations involving background gauge fields for the 3-group symmetry have been explicitly written down for various cases. We also study examples of twist strings interacting with non-Abelian flux loops (defining part of a non-invertible higher symmetry), examples of non-invertible codimension-2 defects, and examples of the interplay of codimension-2 defects with codimension-1 defects. We also find an example of geometric, not fully topological, twist strings in (3+1)D A_6 A 6 gauge theory.

Barkeshli, Maissam↗

DOE OSTI2016

Mathematical Formulation used by MATLAB Code to Convert FTIR Interferograms to Calibrated Spectra

This report discusses the mathematical procedures used to convert raw interferograms from Fourier transform infrared (FTIR) sensors to calibrated spectra. The work discussed in this report was completed as part of the Helios project at Los Alamos National Laboratory. MATLAB code was developed to convert the raw interferograms to calibrated spectra. The report summarizes the developed MATLAB scripts and functions, along with a description of the mathematical methods used by the code. The first step in working with raw interferograms is to convert them to uncalibrated spectra by applying an apodization function to the raw data and then by performing a Fourier transform. The developed MATLAB code also addresses phase error correction by applying the Mertz method. This report provides documentation for the MATLAB scripts.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Data Structures for Extreme Scale Computing

As computing problems of national importance grow, the government meets the increased demand by funding the development of ever larger systems. The overarching goal of the work supported in part by this grant is to increase efficiency of programming and performing computations on these large computing systems. In past work, we have demonstrated that some of these computations once thought to require expensive hardware designs and/or complex, special-purpose programming may be executed efficiently on low-cost commodity cluster computing systems using a general-purpose “latency-tolerant” programming framework. One important developed application of the ideas underlying this framework is graph database technology supporting social network pattern matching used by US intelligence agencies to more quickly identify potential terrorist threats. This database application has been spun out by the Pacific Northwest National Laboratory, a Department of Energy Laboratory, into a commercial start-up, Trovares Inc. We explore an alternative application of the same underlying ideas to a well-studied challenge arising in engineering: solving unstructured sparse linear equations. Solving these equations is key to predicting the behavior of large electronic circuits before they are fabricated. Predicting that behavior ahead of fabrication means that designs can optimized and errors corrected ahead of the expense of manufacture.

42 ENGINEERING↗

DOE OSTI2020

QIS for Applied Quantum Field Theory

Precision predictions in HEP and non-equilibrium dynamics in the early universe require quantum computational technologies. Future quantum devices offer the possibility of performing these, complementing lattice quantum chromodynamics (QCD) studies on classical computers. We are investigating many aspects of the quantum simulation of quantum field theories. Specific topics include simulation-suitable formulations of gauge theories, state preparation, time evolution, extracting HEP-related observables from simulations, quantum error correction (QEC), and entanglement. We are exploring strategies for simulation of scattering in QFTs, and dynamics of the early Universe.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Holistic Measurement Driven Resilience: Combining Operational Fault and Failure Measurements and Fault Injection for Quantifying Fault Detection, Propagation and Impact. Final report

For HPC systems to date, application resilience to faults and failures has been accomplished by the brute- force method of checkpoint/restart, which allows an application to make forward progress in the face of system and application faults, errors, and failures independent of root cause or end result. It has remained the primary resilience mechanism because we lack a way to identify faults and anticipate consequences early enough to take meaningful mitigating action. However, checkpoint/restart implementations put a tremendous burden on system resources and on the applications themselves and is becoming less feasible at scale. Because we have not yet operated at scales at which checkpoint/restart fails to provide forward progress, despite increasing costs, vendors have had little motivation to provide the instrumentation necessary for early identification of faults and failures. However, as we move from petascale to exascale, component mean time to failure (MTTF) will render the existing techniques ineffectual and/or too expensive. Furthermore, fault recovery mechanisms such as failover and/or error correction introduce performance inconsistency. Instrumentation allowing early indication of problems and tools to enable use of such information by systems, operating systems, and applications offer an alternative, more scalable and less costly solution. In the HMDR project, we built on our experience and expertise developed and accumulated over years of research on design, monitoring, measurement, and assessment of resilient computing systems. Analysis of field data on the current and past generations of extreme-scale systems revealed several challenges that, if not addressed in increasingly larger and more complex systems, may hinder the effectiveness of future exascale computing systems. Specifically, i) file systems and interconnects in current-generation large-scale systems already operate at the margins of resiliency, including consistent performance, and may not scale to larger deployments; ii) automated, software-based failover mechanisms are frequently inadequate and can introduce wider failures, such that failures during recovery may lead to system/application failures, including system-wide outages; and iii) silent data corruption represents a critical fault mode and will require efficient detection mechanisms if next-generation applications are to take full advantage of exascale hardware. To address the above challenges, we assembled a team of world-renowned experts in resilient extreme- scale computing from the University of Illinois (Electrical and Computer Engineering, Computer Science, and NCSA), SNL, LANL, NERSC, and Cray. Our team includes representatives from centers that house many of the largest HPC resources in the world, both today and over the coming years. The team has a unique track record of research in i) system and application failure characterization based on the analysis of field data, ii) data-driven design of fault/error detection mechanisms, and iii) experimental characterization of system/application resiliency. The team includes system owners/operators who provide continuous data collection and access and ensure installation of appropriate analysis tools.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Request for the establishment of quantum information foundries

Quantum information science still requires basic science research to achieve its full potential. However, scientists require access to fabricated device samples if we are to utilize the full toolset for solving the pressing issues in the field such as materials, device layout, or optimal error correction methods.Currently, access to samples is either prohibitively expensive, or requires close collaboration with one of the few groups in the world developing these systems. A dedicated quantum foundry could,in principle,provide affordable samples designed with current best practices to a host of scientists who otherwise do not have access. We detail several different foundry models which we believe will assist the community in developing the science for both the underlying processes, as well as the more advanced chip layout and circuit design. Opening access to the broader community has the potential to significantly lower the barrier to entry and vastly improve the ability for researchers in fields ranging from condensed matter to materials characterization to systems engineering to contribute to accelerating the advance of quantum information science and technology.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

Stellarator Simplification using Permanent Magnets (PM4Stell)

This Report describes the design and prototyping of an array of rare-Earth permanent magnets to form a stellarator. This effort was motivated by the hypothesis that the usage of permanent magnets, rather than electromagnetic coils with complex geometry, could reduce the cost of stellarator construction and thereby make increase the feasibility of the stellarator as a technology for a fusion-based power plant. In this project, we have developed novel methods for specifying the positions, shapes, and polarizations of the magnets in the array, and have developed designs for mounting structures and tooling for assembly. We have also performed detailed finite-element modeling to qualify the accuracy of the magnetic field produced by the magnet array as designed, and to confirm that the structure can withstand the forces between the magnets. We have also developed techniques for measuring the magnetic field produced by the array once constructed, as well as for correcting errors in the field arising from misalignments and offsets within the tolerances for mounting and fabrication. Finally, we have constructed a tabletop prototype of a section of the array to qualify the concept for assembling and mounting magnets within the array.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Towards Practical Quantum Simulation for High Energy Physics (Final report for DE-SC0019452)

Quantum computing offers the potential of transformative improvements in our ability to simulate strongly interacting quantum systems. Each application area of quantum simulation requires careful study and new insights to determine the potential advantages of quantum computation. In particular, high energy physics and quantum field theory present specific challenges to existing approaches. In this project we studied quantum simulation in the light-front formulation of quantum field theory. In this formulation, quantum field theory more closely resembles other many-body quantum systems such as quantum chemistry, which are well studied from the perspective of quantum computation. We considered applications suitable for both near term and future error-corrected quantum computers.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Stellarator Simplification using Permanent Magnets (PM4Stell)

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

Quantum communications work at SQMS

The Superconducting Quantum Materials and Systems (SQMS) Center is focused on advancing low-loss interconnectivity between quantum processing units (QPUs) to enable scalable quantum computing. In the short term, our goals include the development and optimization of 2D and 3D platforms with remotely entangled modules, refinement in microwave design and control schemes, and the achievement of high-fidelity quantum state transfer between superconducting quantum modules. Looking ahead, we aim to realize modular quantum computing with low-loss interconnects, maximize remote entanglement fidelity and implement robust quantum operations with error correction. We will leverage advanced microwave engineering and material science to optimize the performance of quantum interconnects and the coupling interfaces between the interconnects and the QPUs.

Vallières, André↗

DOE OSTI2022

Processing and Archiving Camera Data Effectively for Operando Neutron Measurement of Metal Additive Manufacturing

As the name suggests, The Operando Neutron Measurement of Metal Additive Manufacturing project conducted by ORNL’s Manufacturing Demonstration Facility (MDF) is experimenting with advanced additive metal manufacturing techniques while analyzing the process using the Spallation Neutron Source’s (SNS) beamline. As part of this experiment, the MDF is seeking to employ 2 XIMEA visible light cameras and a single infrared camera to analyze and correct manufacturing in real-time. The MDF requires a solution for capturing the high-resolution data feed from the cameras with compression while preserving enough detail for their software to detect and correct errors in real time. Our solution was to develop a Robot Operating System (ROS) driver to feed the camera data into ROS. From ROS, the feed is compressed and temporarily stored locally to a stripped 4 NVMe SSD RAID array. Post-experiment, the data is transitioned to long-term storage for archival purposes.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Blueprint for DOE Quantum Supercomputing: Ensuring U.S. Leadership in the Quantum Decade

Quantum computing stands at the threshold of a transformative decade, where the field will evolve from small-scale demonstrations toward practical scientific computing at scale. This Blueprint identifies fault-tolerant quantum computers (FTQCs) as a viable, scalable, and broadly applicable path to achieving “quantum scientific utility,” defined as solving scientifically valuable problems beyond the reach of conventional, classical computers. This capability is expected to show scientific demonstrations in the late 2020s and to mature in the early-to-mid 2030s. This Blueprint outlines a strategy to prepare the U.S. Department of Energy (DOE) for FTQCs and their integration into the U.S. national scientific computing infrastructure. Its purpose is to identify the steps, milestones, and research directions necessary for DOE to enable initial deployment of FTQCs in 2028 as a scientific tool for the nation and mature this capability into the 2030s. DOE has a long history of supporting quantum information science and technology, contributing significantly to research advancements, training a quantum-ready workforce, and providing access to early small-scale quantum hardware. Given recent demonstrations of logical operations on error-corrected logical qubits and the advancement of commercial hardware roadmaps, DOE should begin preparations for large-scale, fault-tolerant quantum computing deployment for DOE science missions. This Blueprint proposes that DOE focus on (1) deploying first-generation scientifically relevant quantum computers with at least 100 logical qubits and performing at least 10,000 to 100,000 hard logical operations in scientifically relevant calculations; (2) developing essential FTQC programming competencies, system software, and facility readiness; and (3) investing in cutting edge focused R&D that fosters breakthroughs in scientific applications, algorithms, and logical architectures needed to accelerate the advent of scientific utility. This effort will position DOE to transition to larger systems: production-scale quantum computers that comprise 1,000 to 10,000 logical qubits, perform 1 to 10 billion hard logical operations, and execute scientifically useful computations at scale. Achieving these goals will require DOE facilities to evolve with urgency to support scientific campaigns that integrate quantum and classical computing resources into efficient workflows, novel software and firmware environments for compiling and routing quantum programs on FTQC machines, and suitable infrastructure for quantum hardware. It will also require further development and optimization of scientific applications from the fields of materials science, quantum chemistry, and high-energy and nuclear physics. The Blueprint calls for transformative R&D and collective action to accelerate the advent of scientific quantum utility and bring it within reach by 2028.

97 MATHEMATICS AND COMPUTING↗